Geometry & MOs

Info

ID:	363439
PubChem CID:	127311242
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-127.7
Dipole, Da:	4.55
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NCCC(=O)NC2=CN=CC=C2)C(=O)N3CCCC3

DOS

IR

Vibrations